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

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)13(20)10-22-15-18-17-14(19(15)4)11-6-8-12(21-5)9-7-11/h6-9H,10H2,1-5H3