N-[(E)-[2-(1,3-benzothiazol-2-yl)-1-phenyl-ethylidene]amino]-4-nitro-aniline

Systemtic Name: N-[(E)-[2-(1,3-benzothiazol-2-yl)-1-phenyl-ethylidene]amino]-4-nitro-aniline Openeye Name: N-[(E)-[2-(1,3-benzothiazol-2-yl)-1-phenyl-ethylidene]amino]-4-nitro-aniline CAS Name: N-[(E)-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]amino]-4-nitroaniline IUPAC Name: N-[(E)-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]amino]-4-nitroaniline Traditional Name: [(E)-[2-(1,3-benzothiazol-2-yl)-1-phenyl-ethylidene]amino]-(4-nitrophenyl)amine Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4O2S/c26-25(27)17-12-10-16(11-13-17)23-24-19(15-6-2-1-3-7-15)14-21-22-18-8-4-5-9-20(18)28-21/h1-13,23H,14H2/b24-19+