3-butylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole CAS Name: 3-(butylthio)-4-cyclohexyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-cyclohexyl-5-phenyl-1,2,4-triazole Traditional Name: 3-(butylthio)-4-cyclohexyl-5-phenyl-1,2,4-triazole Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3S/c1-2-3-14-22-18-20-19-17(15-10-6-4-7-11-15)21(18)16-12-8-5-9-13-16/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3