4-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(phenylthio)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(phenylthio)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H22N4OS/c25-20(7-4-12-26-19-5-2-1-3-6-19)22-13-17-8-10-18(11-9-17)14-24-16-21-15-23-24/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,22,25)