1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-4-keto-cyclohexa-1,5-dien-1-yl]thiourea Formula: C14H10ClN3OS2 MolecularWeight: 335.8317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=C(C3=O)Cl)NC(=S)N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C(C=C(C3=O)Cl)NC(=S)N)/S2

InChI

InChI=1S/C14H10ClN3OS2/c15-9-6-7(17-14(16)20)5-8(12(9)19)13-18-10-3-1-2-4-11(10)21-13/h1-6,18H,(H3,16,17,20)/b13-8+