6-azanyl-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H19N5O2S2/c1-12-19-20(15(10-24)21(25)30-22(19)28-27-12)13-7-8-17(29-2)14(9-13)11-31-23-26-16-5-3-4-6-18(16)32-23/h3-9,20H,11,25H2,1-2H3,(H,27,28)