N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-16-13-18(25-11-5-6-12-25)9-10-19(16)23-20(27)14-28-21-24-22-15-26(21)17-7-3-2-4-8-17/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3,(H,23,27)