3-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-oxo-1,2-bis(p-tolyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1,2-bis(4-methylphenyl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-keto-1,2-bis(p-tolyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C21H21N3O2S/c1-13-3-7-15(8-4-13)18(25)19(16-9-5-14(2)6-10-16)27-21-23-22-20(26)24(21)17-11-12-17/h3-10,17,19H,11-12H2,1-2H3,(H,22,26)