(4S)-6-azanyl-3-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-3-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-3-(p-tolylsulfanylmethyl)-4-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-3-[[(4-methylphenyl)thio]methyl]-4-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-3-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-3-[(p-tolylthio)methyl]-4-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C3[C@H](C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5OS/c1-12-4-6-14(7-5-12)27-11-16-18-17(13-3-2-8-23-10-13)15(9-21)19(22)26-20(18)25-24-16/h2-8,10,17H,11,22H2,1H3,(H,24,25)/t17-/m0/s1