N-[2-(phenylmethylsulfanyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H18N4OS/c23-18(20-10-11-24-12-15-4-2-1-3-5-15)16-6-8-17(9-7-16)22-14-19-13-21-22/h1-9,13-14H,10-12H2,(H,20,23)