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

Systemtic Name: 6-azanyl-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-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-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N5O2S2/c1-3-6-18-22-21(16(12-26)23(27)32-24(22)30-29-18)14-9-10-19(31-2)15(11-14)13-33-25-28-17-7-4-5-8-20(17)34-25/h4-5,7-11,21H,3,6,13,27H2,1-2H3,(H,29,30)