N-(1,3-benzothiazol-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O2S2/c1-3-12-26-19(14-8-4-6-10-16(14)28-2)24-25-21(26)29-13-18(27)23-20-22-15-9-5-7-11-17(15)30-20/h3-11H,1,12-13H2,2H3,(H,22,23,27)