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

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)propionamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C18H23N5O3S/c1-11(17(25)20-12-3-7-14(26-2)8-4-12)27-18-22-21-16(10-9-15(19)24)23(18)13-5-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H2,19,24)(H,20,25)