4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H23N5S/c19-12-15-6-8-16(9-7-15)13-24-18-22-21-17(23(18)20)11-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,13,20H2