N-(4-acetamidophenyl)-2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butyramide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H22N6O2S/c1-4-13(22-15(17)20-21-16(22)25-5-2)14(24)19-12-8-6-11(7-9-12)18-10(3)23/h6-9,13H,4-5H2,1-3H3,(H2,17,20)(H,18,23)(H,19,24)