2-(3-methylthietan-3-yl)-4,5-diphenyl-1,2,4-triazol-3-one

Systemtic Name: 2-(3-methylthietan-3-yl)-4,5-diphenyl-1,2,4-triazol-3-one Openeye Name: 2-(3-methylthietan-3-yl)-4,5-diphenyl-1,2,4-triazol-3-one CAS Name: 2-(3-methyl-3-thietanyl)-4,5-diphenyl-1,2,4-triazol-3-one IUPAC Name: 2-(3-methylthietan-3-yl)-4,5-diphenyl-1,2,4-triazol-3-one Traditional Name: 2-(3-methylthietan-3-yl)-4,5-diphenyl-1,2,4-triazol-3-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC1)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1(CSC1)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3OS/c1-18(12-23-13-18)21-17(22)20(15-10-6-3-7-11-15)16(19-21)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3