4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C28H34N6S2 MolecularWeight: 518.73976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3.C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3.C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3

InChI

InChI=1S/2C14H17N3S/c2*18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h2*1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,18)