azepan-1-yl-[1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(p-tolyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(4-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: azepan-1-yl-[1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(p-tolyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCCC3)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C21H24N6OS/c1-16-7-9-17(10-8-16)27-18(15-29-21-22-11-6-12-23-21)19(24-25-27)20(28)26-13-4-2-3-5-14-26/h6-12H,2-5,13-15H2,1H3