4-(3-methyl-7-oxidanylidene-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-7-oxidanylidene-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl)benzenecarbonitrile Openeye Name: 4-(3-methyl-7-oxo-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile CAS Name: 4-[3-methyl-7-oxo-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzonitrile IUPAC Name: 4-(3-methyl-7-oxo-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile Traditional Name: 4-[7-keto-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzonitrile Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H14N6OS/c1-11-15-16(13-5-3-12(9-19)4-6-13)26-10-14(25)22-17(15)24(23-11)18-20-7-2-8-21-18/h2-8,16,23H,10H2,1H3