N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H19N5OS/c28-22(19-5-3-17(4-6-19)13-27-16-24-15-25-27)26-20-7-9-21(10-8-20)29-14-18-2-1-11-23-12-18/h1-12,15-16H,13-14H2,(H,26,28)