4-cyclohexyl-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-cyclohexyl-5-phenyl-1,2,4-triazole Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3S/c1-4-10-17(11-5-1)16-25-21-23-22-20(18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,19H,3,8-9,14-16H2