1-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S2/c1-13-8-9-15(25-5)14(11-13)23-18(16-7-6-10-26-16)21-22-19(23)27-12-17(24)20(2,3)4/h6-11H,12H2,1-5H3