2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)propionamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C18H20N6O2S/c1-11(17(26)21-14-4-2-3-12(9-14)10-19)27-18-23-22-16(13-5-6-13)24(18)8-7-15(20)25/h2-4,9,11,13H,5-8H2,1H3,(H2,20,25)(H,21,26)