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

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile Openeye Name: 4-[2-(4-fluoroanilino)pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile CAS Name: 4-[2-(4-fluoroanilino)-4-pyrimidinyl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile IUPAC Name: 4-[2-(4-fluoroanilino)pyrimidin-4-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile Traditional Name: 4-[2-(4-fluoroanilino)pyrimidin-4-yl]-3-methyl-5-(methylthio)thiophene-2-carbonitrile Formula: C17H13FN4S2 MolecularWeight: 356.440323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)F)SC)C#N

Isomeric SMILES

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)F)SC)C#N

InChI

InChI=1S/C17H13FN4S2/c1-10-14(9-19)24-16(23-2)15(10)13-7-8-20-17(22-13)21-12-5-3-11(18)4-6-12/h3-8H,1-2H3,(H,20,21,22)