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

Systemtic Name: N-(4-acetamidophenyl)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]butanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]butyramide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S/c1-3-18(19(29)24-17-11-9-16(10-12-17)23-14(2)28)27-20(22)25-26-21(27)30-13-15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3,(H2,22,25)(H,23,28)(H,24,29)