6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-2-prop-2-enylsulfanyl-quinazoline

Systemtic Name: 6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-2-prop-2-enylsulfanyl-quinazoline Openeye Name: 2-allylsulfanyl-6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)vinyl]quinazoline CAS Name: 6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-2-(prop-2-enylthio)quinazoline IUPAC Name: 6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-2-prop-2-enylsulfanylquinazoline Traditional Name: 2-(allylthio)-6,7-dimethyl-4-[(E)-2-(4-nitrophenyl)vinyl]quinazoline Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC=C)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC=C)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O2S/c1-4-11-27-21-22-19(18-12-14(2)15(3)13-20(18)23-21)10-7-16-5-8-17(9-6-16)24(25)26/h4-10,12-13H,1,11H2,2-3H3/b10-7+