(Z)-3-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-3-(4-nitrophenyl)acrylonitrile Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SC(=CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1S/C(=C\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-28-13-12-23-19(25)16-4-2-3-5-17(16)22-20(23)29-18(10-11-21)14-6-8-15(9-7-14)24(26)27/h2-10H,12-13H2,1H3/b18-10-