N-(3-chloranyl-4-methoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC=NN2

InChI

InChI=1S/C12H13ClN4O2S/c1-7(20-12-14-6-15-17-12)11(18)16-8-3-4-10(19-2)9(13)5-8/h3-7H,1-2H3,(H,16,18)(H,14,15,17)