4-(4-nitrophenyl)-3-(phenylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

Systemtic Name: 4-(4-nitrophenyl)-3-(phenylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Openeye Name: 3-benzyl-4-(4-nitrophenyl)-N-(3-pyridyl)thiazol-2-imine CAS Name: 4-(4-nitrophenyl)-3-(phenylmethyl)-N-(3-pyridinyl)-2-thiazolimine IUPAC Name: 3-benzyl-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Traditional Name: [3-benzyl-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]-(3-pyridyl)amine Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CSC2=NC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CSC2=NC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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