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

Systemtic Name: N-(4-ethylphenyl)-3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,5-dimethylhexyl)-N-(4-ethylphenyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: N-(4-ethylphenyl)-3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: N-(4-ethylphenyl)-3-(6-methylheptan-2-yl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [3-(1,5-dimethylhexyl)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]-(4-ethylphenyl)amine Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)CCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)CCCC(C)C

InChI

InChI=1S/C25H31N3O2S/c1-5-20-12-14-22(15-13-20)26-25-27(19(4)9-6-8-18(2)3)24(17-31-25)21-10-7-11-23(16-21)28(29)30/h7,10-19H,5-6,8-9H2,1-4H3