1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[3-(methylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[3-(methylthio)propyl]pyrazole-4-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)NCCCSC

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)NCCCSC

InChI

InChI=1S/C21H23N5OS/c1-14-18(20(27)22-10-5-11-28-2)13-24-26(14)21-23-12-16-9-8-15-6-3-4-7-17(15)19(16)25-21/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,22,27)