4-azanyl-3-[(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one

Systemtic Name: 4-azanyl-3-[(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Openeye Name: 4-amino-3-[(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one CAS Name: 4-amino-3-[(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 4-amino-3-[(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Traditional Name: 4-amino-3-[(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Formula: C17H10BrN3O2S MolecularWeight: 400.2492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C(=C4)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C(=C4)Br)N

InChI

InChI=1S/C17H10BrN3O2S/c18-11-8-9(5-6-13(11)22)7-10-15(19)21-12-3-1-2-4-14(12)24-17(21)20-16(10)23/h1-8H,19H2