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

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O2S/c1-6-11-21-16(13-7-9-14(23-5)10-8-13)19-20-17(21)24-12-15(22)18(2,3)4/h6-10H,1,11-12H2,2-5H3