6-azanyl-4-(3-methoxy-4-propoxy-phenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-methoxy-4-propoxy-phenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-methoxy-4-propoxy-phenyl)-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-methoxy-4-propoxyphenyl)-3-[[(4-methylphenyl)thio]methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-methoxy-4-propoxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-methoxy-4-propoxy-phenyl)-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CSC4=CC=C(C=C4)C)N)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CSC4=CC=C(C=C4)C)N)C#N)OC

InChI

InChI=1S/C25H26N4O3S/c1-4-11-31-20-10-7-16(12-21(20)30-3)22-18(13-26)24(27)32-25-23(22)19(28-29-25)14-33-17-8-5-15(2)6-9-17/h5-10,12,22H,4,11,14,27H2,1-3H3,(H,28,29)