3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H19BrN4S MolecularWeight: 391.32856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4S/c18-14-9-7-13(8-10-14)16-20-21-17(23-12-4-11-19)22(16)15-5-2-1-3-6-15/h7-10,15H,1-6,12H2