(3,4-dimethoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone

Systemtic Name: (3,4-dimethoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone Openeye Name: (3,4-dimethoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone CAS Name: (3,4-dimethoxyphenyl)-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone Traditional Name: (3,4-dimethoxyphenyl)-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C18H17N3O3S/c1-23-14-10-9-13(11-15(14)24-2)17(22)21-18(25-3)19-16(20-21)12-7-5-4-6-8-12/h4-11H,1-3H3