[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[(5-cyclopentyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-cyclopentyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC(=S)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC(=S)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS2/c26-20(15-28-21(27)24-12-6-7-13-24)22-19-14-18(16-8-4-5-9-16)23-25(19)17-10-2-1-3-11-17/h1-3,10-11,14,16H,4-9,12-13,15H2,(H,22,26)