methyl N-cyano-N'-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]carbamimidothioate Openeye Name: 1-cyano-3-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]carbamimidothioate Traditional Name: 1-cyano-3-[(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-1-enyl]-2-methyl-isothiourea Formula: C11H15N5S MolecularWeight: 249.3353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC=CN=C(NC#N)SC

Isomeric SMILES

CC1=C(C(=NN1)C)C/C=C/N=C(NC#N)SC

InChI

InChI=1S/C11H15N5S/c1-8-10(9(2)16-15-8)5-4-6-13-11(17-3)14-7-12/h4,6H,5H2,1-3H3,(H,13,14)(H,15,16)/b6-4+