4-(1,3-benzothiazol-2-yl)-N-[[3-[(2-nitro-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]-3-phenyl-aniline

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[[3-[(2-nitro-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]-3-phenyl-aniline Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[[3-[(2-nitro-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]-3-phenyl-aniline CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[[3-[(2-nitro-4-phenylphenyl)methyl]-4-imidazolyl]methyl]-3-phenylaniline IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[[3-[(2-nitro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline Traditional Name: [4-(1,3-benzothiazol-2-yl)-3-phenyl-phenyl]-[[3-(2-nitro-4-phenyl-benzyl)imidazol-4-yl]methyl]amine Formula: C36H27N5O2S MolecularWeight: 593.69688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)CN3C=NC=C3CNC4=CC(=C(C=C4)C5=NC6=CC=CC=C6S5)C7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)CN3C=NC=C3CNC4=CC(=C(C=C4)C5=NC6=CC=CC=C6S5)C7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C36H27N5O2S/c42-41(43)34-19-27(25-9-3-1-4-10-25)15-16-28(34)23-40-24-37-21-30(40)22-38-29-17-18-31(32(20-29)26-11-5-2-6-12-26)36-39-33-13-7-8-14-35(33)44-36/h1-21,24,38H,22-23H2