N-(4-acetamidophenyl)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)propanamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N6O2S/c1-13(18(28)23-17-10-8-16(9-11-17)22-14(2)27)26-19(21)24-25-20(26)29-12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,21,24)(H,22,27)(H,23,28)