1-butyl-2-methyl-6-nitro-8-(2-phenylethenyl)quinazoline-4-thione

Systemtic Name: 1-butyl-2-methyl-6-nitro-8-(2-phenylethenyl)quinazoline-4-thione Openeye Name: 1-butyl-2-methyl-6-nitro-8-styryl-quinazoline-4-thione CAS Name: 1-butyl-2-methyl-6-nitro-8-(2-phenylethenyl)-4-quinazolinethione IUPAC Name: 1-butyl-2-methyl-6-nitro-8-(2-phenylethenyl)quinazoline-4-thione Traditional Name: 1-butyl-2-methyl-6-nitro-8-styryl-quinazoline-4-thione Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=S)C2=CC(=CC(=C21)C=CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C(=NC(=S)C2=CC(=CC(=C21)C=CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O2S/c1-3-4-12-23-15(2)22-21(27)19-14-18(24(25)26)13-17(20(19)23)11-10-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12H2,1-2H3