4-phenylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide Openeye Name: 4-phenylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]butanamide CAS Name: 4-(phenylthio)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide Traditional Name: 4-(phenylthio)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCC2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCC2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C18H19N5OS/c24-17(9-5-11-25-16-7-2-1-3-8-16)21-12-15-6-4-10-20-18(15)23-14-19-13-22-23/h1-4,6-8,10,13-14H,5,9,11-12H2,(H,21,24)