2-[(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one Openeye Name: 2-[(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one CAS Name: 2-[(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one IUPAC Name: 2-[(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one Traditional Name: 2-[(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-one Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NNC2=S)CN3C(=O)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NNC2=S)CN3C(=O)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H20N6OS/c24-17-21(13-7-3-1-4-8-13)12-18-22(17)11-15-19-20-16(25)23(15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,25)