N-(3-chloranyl-4-cyano-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H18ClN5OS/c1-10(17(25)21-13-5-4-12(9-20)15(19)8-13)26-18-23-22-16(11-2-3-11)24(18)14-6-7-14/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H,21,25)