4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 4-[(1S)-2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-keto-3-methyl-3-pyrazoline-1-carbothioamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=C(C=C2)OC)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=S)N)[C@H](C2=CC=C(C=C2)OC)C(C#N)C#N

InChI

InChI=1S/C16H15N5O2S/c1-9-13(15(22)21(20-9)16(19)24)14(11(7-17)8-18)10-3-5-12(23-2)6-4-10/h3-6,11,14,20H,1-2H3,(H2,19,24)/t14-/m1/s1