4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate

Systemtic Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate Openeye Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate CAS Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate IUPAC Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoate Traditional Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butyrate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c22-16(23)9-4-10-20-15-8-2-1-7-14(15)18(26)19-17(20)12-5-3-6-13(11-12)21(24)25/h3,5-6,11H,1-2,4,7-10H2,(H,22,23)/p-1