3-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(E)-(carbamothioylhydrazono)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-3-(4-methoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[3-(4-methoxyphenyl)-4-[(E)-(thiocarbamoylhydrazono)methyl]pyrazol-1-yl]propionate Formula: C15H16N5O3S- MolecularWeight: 346.38424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)N)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=S)N)CCC(=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c1-23-12-4-2-10(3-5-12)14-11(8-17-18-15(16)24)9-20(19-14)7-6-13(21)22/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H3,16,18,24)/p-1/b17-8+