(E)-3-[(2-methyl-4-nitro-phenyl)amino]-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[(2-methyl-4-nitro-phenyl)amino]-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-2-[4-(4-isobutylphenyl)thiazol-2-yl]-3-(2-methyl-4-nitro-anilino)prop-2-enenitrile CAS Name: (E)-3-(2-methyl-4-nitroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(2-methyl-4-nitroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-[4-(4-isobutylphenyl)thiazol-2-yl]-3-(2-methyl-4-nitro-anilino)acrylonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C23H22N4O2S/c1-15(2)10-17-4-6-18(7-5-17)22-14-30-23(26-22)19(12-24)13-25-21-9-8-20(27(28)29)11-16(21)3/h4-9,11,13-15,25H,10H2,1-3H3/b19-13+