N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]amine Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S2/c1-14-6-9-16(10-7-14)28-20-11-8-15(12-18(20)25(26)27)13-22-24-21-23-17-4-2-3-5-19(17)29-21/h2-13H,1H3,(H,23,24)/b22-13+