2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C17H21N5O2S/c23-15(11-25-17-20-19-16(24)22(17)14-7-8-14)18-12-3-5-13(6-4-12)21-9-1-2-10-21/h3-6,14H,1-2,7-11H2,(H,18,23)(H,19,24)