N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[1-(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[1-(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[1-(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[1-(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C26H29N5O2S2 MolecularWeight: 507.67076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(C)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

InChI

InChI=1S/C26H29N5O2S2/c1-5-10-31-24(18(4)33-19-12-16(2)11-17(3)13-19)29-30-26(31)34-15-23(32)28-25-21(14-27)20-8-6-7-9-22(20)35-25/h5,11-13,18H,1,6-10,15H2,2-4H3,(H,28,32)