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

Systemtic Name: N-(3-methoxyphenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[4-allyl-3-(phenylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[3-[(phenylthio)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[4-allyl-3-[(phenylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=S)N(C(=N2)CSC3=CC=CC=C3)CC=C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=S)N(C(=N2)CSC3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H22N4O2S2/c1-3-12-24-19(15-29-18-10-5-4-6-11-18)23-25(21(24)28)14-20(26)22-16-8-7-9-17(13-16)27-2/h3-11,13H,1,12,14-15H2,2H3,(H,22,26)