(Z)-3-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[(3-butyl-4-oxo-2-quinazolinyl)thio]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-[(3-butyl-4-keto-quinazolin-2-yl)thio]-3-(4-nitrophenyl)acrylonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(=CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S/C(=C\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-2-3-14-24-20(26)17-6-4-5-7-18(17)23-21(24)29-19(12-13-22)15-8-10-16(11-9-15)25(27)28/h4-12H,2-3,14H2,1H3/b19-12-