3,3-dimethyl-1-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C18H23N3OS/c1-6-10-21-16(14-9-7-8-13(2)11-14)19-20-17(21)23-12-15(22)18(3,4)5/h6-9,11H,1,10,12H2,2-5H3