N-(3,4-dimethylphenyl)-2-[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[5-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C26H31N5O2S/c1-6-13-31-22(15-23(32)27-21-12-11-17(3)19(5)14-21)29-30-26(31)34-16-24(33)28-25-18(4)9-8-10-20(25)7-2/h6,8-12,14H,1,7,13,15-16H2,2-5H3,(H,27,32)(H,28,33)