N-(2-pyrrolidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-pyrrolidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-pyrrolidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(1-pyrrolidinyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-pyrrolidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-pyrrolidinophenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H21N5OS/c26-19(23-17-5-1-2-6-18(17)25-11-3-4-12-25)16-9-7-15(8-10-16)13-27-20-21-14-22-24-20/h1-2,5-10,14H,3-4,11-13H2,(H,23,26)(H,21,22,24)