2-[3-(4-tert-butylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-6-chloranyl-4-phenyl-quinazoline

Systemtic Name: 2-[3-(4-tert-butylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-6-chloranyl-4-phenyl-quinazoline Openeye Name: 2-[3-(4-tert-butylphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenyl-quinazoline CAS Name: 2-[3-(4-tert-butylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline IUPAC Name: 2-[3-(4-tert-butylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline Traditional Name: 2-[5-(4-tert-butylphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-6-chloro-4-phenyl-quinazoline Formula: C31H27ClN4S MolecularWeight: 523.09088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=NN2C3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC(=NN2C3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C31H27ClN4S/c1-31(2,3)22-13-11-20(12-14-22)27-19-26(28-10-7-17-37-28)35-36(27)30-33-25-16-15-23(32)18-24(25)29(34-30)21-8-5-4-6-9-21/h4-18,27H,19H2,1-3H3