2-[(2-chlorophenyl)methylsulfanyl]-5-methylidene-7-(4-methylphenyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methylidene-7-(4-methylphenyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methylene-7-(p-tolyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-5-methylene-7-(4-methylphenyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-methylidene-7-(4-methylphenyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-5-methylene-7-(p-tolyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=C)N=C3N2NC(=N3)SCC4=CC=CC=C4Cl)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=C)N=C3N2NC(=N3)SCC4=CC=CC=C4Cl)C(=O)N

InChI

InChI=1S/C21H20ClN5OS/c1-12-7-9-14(10-8-12)18-17(19(23)28)13(2)24-20-25-21(26-27(18)20)29-11-15-5-3-4-6-16(15)22/h3-10,17-18H,2,11H2,1H3,(H2,23,28)(H,24,25,26)