3-(imidazol-1-ylsulfanylmethyl)-8-nitro-1H-quinolin-4-one

Systemtic Name: 3-(imidazol-1-ylsulfanylmethyl)-8-nitro-1H-quinolin-4-one Openeye Name: 3-(imidazol-1-ylsulfanylmethyl)-8-nitro-1H-quinolin-4-one CAS Name: 3-[(1-imidazolylthio)methyl]-8-nitro-1H-quinolin-4-one IUPAC Name: 3-(imidazol-1-ylsulfanylmethyl)-8-nitro-1H-quinolin-4-one Traditional Name: 3-[(imidazol-1-ylthio)methyl]-8-nitro-4-quinolone Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C(C2=O)CSN3C=CN=C3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C(C2=O)CSN3C=CN=C3

InChI

InChI=1S/C13H10N4O3S/c18-13-9(7-21-16-5-4-14-8-16)6-15-12-10(13)2-1-3-11(12)17(19)20/h1-6,8H,7H2,(H,15,18)