1-(3,4-dimethoxyphenyl)-2-[(5-phenyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(5-phenyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[(4-isopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(5-phenyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(5-phenyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(4-isopropyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-14(2)24-20(15-8-6-5-7-9-15)22-23-21(24)28-13-17(25)16-10-11-18(26-3)19(12-16)27-4/h5-12,14H,13H2,1-4H3