N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-2-16(17(23)20-14-9-5-3-6-10-14)24-18-19-13-22(21-18)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3,(H,20,23)