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

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=CN2C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=CN2C)N3CCCC3

InChI

InChI=1S/C16H21N5OS/c1-12-9-13(5-6-14(12)21-7-3-4-8-21)18-15(22)10-23-16-19-17-11-20(16)2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22)