2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H16Cl2N4S MolecularWeight: 367.29604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H16Cl2N4S/c17-11-6-7-13(14(18)10-11)15-20-21-16(23-9-8-19)22(15)12-4-2-1-3-5-12/h6-7,10,12H,1-5,9H2