4-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCCC#N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCCC#N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H26N4S/c24-15-6-7-16-28-23-26-25-22(27(23)20-12-2-1-3-13-20)17-19-11-8-10-18-9-4-5-14-21(18)19/h4-5,8-11,14,20H,1-3,6-7,12-13,16-17H2