(phenylmethyl) N-[[(1Z)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]carbamodithioate

Systemtic Name: (phenylmethyl) N-[[(1Z)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]carbamodithioate Openeye Name: benzyl N-[[(1Z)-1-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)ethyl]amino]carbamodithioate CAS Name: N-[[(1Z)-1-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)ethyl]amino]carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[(1Z)-1-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethyl]amino]carbamodithioate Traditional Name: N-[[(1Z)-1-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)ethyl]amino]carbamodithioic acid benzyl ester Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NNC(=S)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NNC(=S)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS2/c1-14(21-22-20(26)27-13-16-9-5-3-6-10-16)18-15(2)23-24(19(18)25)17-11-7-4-8-12-17/h3-12,21H,13H2,1-2H3,(H,22,26)/b18-14-