2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3Cl)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H18ClN5OS/c1-12-16(18(22)27)17(13-7-3-2-4-8-13)26-19(23-12)24-20(25-26)28-11-14-9-5-6-10-15(14)21/h2-10,17H,11H2,1H3,(H2,22,27)(H,23,24,25)