3-(1,3-benzothiazol-2-ylmethyl)-7-nitro-quinazolin-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethyl)-7-nitro-quinazolin-4-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethyl)-7-nitro-quinazolin-4-one CAS Name: 3-(1,3-benzothiazol-2-ylmethyl)-7-nitro-4-quinazolinone IUPAC Name: 3-(1,3-benzothiazol-2-ylmethyl)-7-nitroquinazolin-4-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethyl)-7-nitro-quinazolin-4-one Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O3S/c21-16-11-6-5-10(20(22)23)7-13(11)17-9-19(16)8-15-18-12-3-1-2-4-14(12)24-15/h1-7,9H,8H2