3-cyclohexyl-5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclohexyl-5-ethylsulfanyl-1,2,4-triazole CAS Name: 3-cyclohexyl-5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclohexyl-5-ethylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclohexyl-5-(ethylthio)-1,2,4-triazole Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C17H23N3S/c1-2-21-17-19-18-16(15-11-7-4-8-12-15)20(17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3