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

Systemtic Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3O2S/c1-14-7-9-17(10-8-14)23-19(16-5-4-6-18(13-16)25-3)21-22-20(23)26-12-11-15(2)24/h4-10,13H,11-12H2,1-3H3