4-cyclohexyl-5-[5-methyl-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile

Systemtic Name: 4-cyclohexyl-5-[5-methyl-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-5-[5-methyl-2-(3-nitroanilino)pyrimidin-4-yl]-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-5-[5-methyl-2-(3-nitroanilino)-4-pyrimidinyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-5-[5-methyl-2-(3-nitroanilino)pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-5-[5-methyl-2-(3-nitroanilino)pyrimidin-4-yl]-2-(methylthio)thiophene-3-carbonitrile Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=C(C(=C(S2)SC)C#N)C3CCCCC3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(N=C1C2=C(C(=C(S2)SC)C#N)C3CCCCC3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O2S2/c1-14-13-25-23(26-16-9-6-10-17(11-16)28(29)30)27-20(14)21-19(15-7-4-3-5-8-15)18(12-24)22(31-2)32-21/h6,9-11,13,15H,3-5,7-8H2,1-2H3,(H,25,26,27)