3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

Systemtic Name: 3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Openeye Name: 3-(1,5-dimethylhexyl)-4-(3-nitrophenyl)-N-(3-pyridyl)thiazol-2-imine CAS Name: 3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-N-(3-pyridinyl)-2-thiazolimine IUPAC Name: 3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Traditional Name: [3-(1,5-dimethylhexyl)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]-(3-pyridyl)amine Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=CSC1=NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCC(C)N1C(=CSC1=NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O2S/c1-16(2)7-4-8-17(3)25-21(18-9-5-11-20(13-18)26(27)28)15-29-22(25)24-19-10-6-12-23-14-19/h5-6,9-17H,4,7-8H2,1-3H3