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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C22H23N3O2S/c1-5-14-25-21(18-8-6-7-9-19(18)27-4)23-24-22(25)28-16(3)20(26)17-12-10-15(2)11-13-17/h5-13,16H,1,14H2,2-4H3