3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-25-13-8-6-12(7-9-13)23-17(14-4-2-3-5-15(14)19)21-22-18(23)26-11-10-16(20)24/h2-9H,10-11H2,1H3,(H2,20,24)