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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C19H25N5O2S/c1-3-13-4-8-15(9-5-13)21-18(26)12(2)27-19-23-22-17(14-6-7-14)24(19)11-10-16(20)25/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H2,20,25)(H,21,26)