N-(3-chloranyl-4-cyano-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H19ClN6OS MolecularWeight: 402.90106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C18H19ClN6OS/c19-15-9-13(4-3-12(15)10-20)21-16(26)11-27-18-23-22-17(24-7-1-2-8-24)25(18)14-5-6-14/h3-4,9,14H,1-2,5-8,11H2,(H,21,26)