4-phenylsulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-phenylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]butanamide CAS Name: 4-(phenylthio)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-(phenylthio)-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]butyramide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H17N5OS/c23-17(7-4-10-24-15-5-2-1-3-6-15)21-14-8-9-16(19-11-14)22-13-18-12-20-22/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,21,23)