5-[5-azanyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 5-[5-azanyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-2-methoxy-benzenecarbonitrile Openeye Name: 5-[5-amino-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-2-methoxy-benzonitrile CAS Name: 5-[5-amino-3-[4-(methylthio)phenyl]-3,4-dihydropyrazol-2-yl]-2-methoxybenzonitrile IUPAC Name: 5-[5-amino-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-2-methoxybenzonitrile Traditional Name: 5-[3-amino-5-[4-(methylthio)phenyl]-2-pyrazolin-1-yl]-2-methoxy-benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(CC(=N2)N)C3=CC=C(C=C3)SC)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(CC(=N2)N)C3=CC=C(C=C3)SC)C#N

InChI

InChI=1S/C18H18N4OS/c1-23-17-8-5-14(9-13(17)11-19)22-16(10-18(20)21-22)12-3-6-15(24-2)7-4-12/h3-9,16H,10H2,1-2H3,(H2,20,21)