(E)-N-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[[(5-methyl-2-phenyl-3-pyrazolyl)amino]-sulfanylidenemethyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(5-methyl-2-phenylpyrazol-3-yl)carbamothioyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(5-methyl-2-phenyl-pyrazol-3-yl)thiocarbamoyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=S)NC(=O)C=CC2=CN(N=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=S)NC(=O)/C=C/C2=CN(N=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6OS/c1-13-10-16(24(22-13)15-6-4-3-5-7-15)20-18(26)21-17(25)9-8-14-11-19-23(2)12-14/h3-12H,1-2H3,(H2,20,21,25,26)/b9-8+