4-[5-(cyclohexylmethylsulfanyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-(cyclohexylmethylsulfanyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(cyclohexylmethylsulfanyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(cyclohexylmethylthio)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(cyclohexylmethylsulfanyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(cyclohexylmethylthio)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCCCC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3CCCCC3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H26N4S/c1-16-8-9-20(14-17(16)2)26-21(19-10-12-23-13-11-19)24-25-22(26)27-15-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3