4-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2,2-diphenyl-butanenitrile

Systemtic Name: 4-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2,2-diphenyl-butanenitrile Openeye Name: 4-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-2,2-diphenyl-butanenitrile CAS Name: 4-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-2,2-diphenylbutanenitrile IUPAC Name: 4-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-2,2-diphenylbutanenitrile Traditional Name: 4-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-2,2-diphenyl-butyronitrile Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3OS/c28-19-27(20-9-3-1-4-10-20,21-11-5-2-6-12-21)17-18-32-26-29-24-14-8-7-13-23(24)25(31)30(26)22-15-16-22/h1-14,22H,15-18H2