5-methyl-6-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-methyl-6-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-methyl-3-phenyl-6-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-methyl-6-[(E)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-methyl-6-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-methyl-3-phenyl-6-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C29H22N6OS2 MolecularWeight: 534.65458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=NC4=C(C3=O)SC(=S)N4C5=CC=CC=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/N3C(=NC4=C(C3=O)SC(=S)N4C5=CC=CC=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C29H22N6OS2/c1-19-13-15-21(16-14-19)25-22(18-33(32-25)23-9-5-3-6-10-23)17-30-35-20(2)31-27-26(28(35)36)38-29(37)34(27)24-11-7-4-8-12-24/h3-18H,1-2H3/b30-17+