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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-14(2)23-19(17-11-7-8-15(3)12-17)21-22-20(23)25-13-18(24)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3