4-(6-azanyl-7-iodanyl-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(6-azanyl-7-iodanyl-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(6-amino-7-iodo-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(6-amino-7-iodo-3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(6-amino-7-iodo-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-amino-7-iodo-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C13H9IN2OS MolecularWeight: 368.19283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC3=C(S2)C(=C(C=C3)N)I

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC3=C(S2)C(=C(C=C3)N)I

InChI

InChI=1S/C13H9IN2OS/c14-11-9(15)5-6-10-12(11)18-13(16-10)7-1-3-8(17)4-2-7/h1-6,16H,15H2