(E)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[5-(p-tolylsulfanyl)-2-thienyl]prop-2-enenitrile CAS Name: (E)-3-[5-[(4-methylphenyl)thio]-2-thiophenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-[5-(p-tolylthio)-2-thienyl]acrylonitrile Formula: C22H15N3OS2 MolecularWeight: 401.504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(S2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(S2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H15N3OS2/c1-14-6-8-16(9-7-14)27-20-11-10-17(28-20)12-15(13-23)21-24-19-5-3-2-4-18(19)22(26)25-21/h2-12H,1H3,(H,24,25,26)/b15-12+