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

Systemtic Name: 4-(3-methoxyphenyl)-2-methylsulfanyl-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]thiophene-3-carbonitrile Openeye Name: 4-(3-methoxyphenyl)-2-methylsulfanyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiophene-3-carbonitrile CAS Name: 4-(3-methoxyphenyl)-2-(methylthio)-5-[2-(3-nitroanilino)-4-pyrimidinyl]-3-thiophenecarbonitrile IUPAC Name: 4-(3-methoxyphenyl)-2-methylsulfanyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiophene-3-carbonitrile Traditional Name: 4-(3-methoxyphenyl)-2-(methylthio)-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiophene-3-carbonitrile Formula: C23H17N5O3S2 MolecularWeight: 475.54278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(SC(=C2C#N)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(SC(=C2C#N)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O3S2/c1-31-17-8-3-5-14(11-17)20-18(13-24)22(32-2)33-21(20)19-9-10-25-23(27-19)26-15-6-4-7-16(12-15)28(29)30/h3-12H,1-2H3,(H,25,26,27)