3-butan-2-yl-5-cyclohexylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-butan-2-yl-5-cyclohexylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclohexylsulfanyl-4-phenyl-5-sec-butyl-1,2,4-triazole CAS Name: 3-butan-2-yl-5-(cyclohexylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-butan-2-yl-5-cyclohexylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(cyclohexylthio)-4-phenyl-5-sec-butyl-1,2,4-triazole Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN=C(N1C2=CC=CC=C2)SC3CCCCC3

Isomeric SMILES

CCC(C)C1=NN=C(N1C2=CC=CC=C2)SC3CCCCC3

InChI

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