N-(4-chlorophenyl)-7-methyl-5-oxidanylidene-2-phenylazanyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-7-methyl-5-oxidanylidene-2-phenylazanyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide Openeye Name: 2-anilino-N-(4-chlorophenyl)-7-methyl-5-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide CAS Name: 2-anilino-N-(4-chlorophenyl)-7-methyl-5-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide IUPAC Name: 2-anilino-N-(4-chlorophenyl)-7-methyl-5-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide Traditional Name: 2-anilino-N-(4-chlorophenyl)-5-keto-7-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1NC(=C2C(=S)NC3=CC=C(C=C3)Cl)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C2N1NC(=C2C(=S)NC3=CC=C(C=C3)Cl)NC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5OS/c1-12-11-16(27)24-19-17(20(28)23-15-9-7-13(21)8-10-15)18(25-26(12)19)22-14-5-3-2-4-6-14/h2-11,22,25H,1H3,(H,23,28)