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

Systemtic Name: N-(4-chlorophenyl)-5,7-dimethyl-2-phenylazanyl-pyrazolo[1,5-a]pyrimidine-3-carbothioamide Openeye Name: 2-anilino-N-(4-chlorophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbothioamide CAS Name: 2-anilino-N-(4-chlorophenyl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarbothioamide IUPAC Name: 2-anilino-N-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbothioamide Traditional Name: 2-anilino-N-(4-chlorophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbothioamide Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C(=NN12)NC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C(C(=NN12)NC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H18ClN5S/c1-13-12-14(2)27-20(23-13)18(19(26-27)24-16-6-4-3-5-7-16)21(28)25-17-10-8-15(22)9-11-17/h3-12H,1-2H3,(H,24,26)(H,25,28)