2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C20H21N5OS2/c1-3-12-27-17-7-5-4-6-16(17)22-18(26)13-28-20-24-23-19(25(20)21)15-10-8-14(2)9-11-15/h3-11H,1,12-13,21H2,2H3,(H,22,26)