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

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C19H25N5O3S/c1-3-27-15-8-4-13(5-9-15)21-18(26)12(2)28-19-23-22-17(11-10-16(20)25)24(19)14-6-7-14/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H2,20,25)(H,21,26)