2-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-cyclohexa-2,4-dien-1-imine

Systemtic Name: 2-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-cyclohexa-2,4-dien-1-imine Openeye Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-cyclohexa-2,4-dien-1-imine CAS Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-1-cyclohexa-2,4-dienimine IUPAC Name: 2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrocyclohexa-2,4-dien-1-imine Traditional Name: (E)-(2-chloro-4-nitro-cyclohexa-2,4-dien-1-ylidene)-(4,6-dimethyl-1,3-benzothiazol-2-yl)amine Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N=C3CC=C(C=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)/N=C/3\CC=C(C=C3Cl)[N+](=O)[O-])C

InChI

InChI=1S/C15H12ClN3O2S/c1-8-5-9(2)14-13(6-8)22-15(18-14)17-12-4-3-10(19(20)21)7-11(12)16/h3,5-7H,4H2,1-2H3/b17-12+