1-[(3-cyanophenyl)-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]-3-sulfanylidene-urea

Systemtic Name: 1-[(3-cyanophenyl)-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]-3-sulfanylidene-urea Openeye Name: 1-[3-cyano-N-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioyl]anilino]-3-thioxo-urea CAS Name: 1-(3-cyano-N-[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]anilino)-3-sulfanylideneurea IUPAC Name: 1-[3-cyano-N-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]anilino]-3-sulfanylideneurea Traditional Name: 1-[3-cyano-N-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoyl]anilino]-3-thioxo-urea Formula: C16H13N7OS2 MolecularWeight: 383.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N(C1=CC=CC(=C1)C#N)NC(=O)N=S)C2=CC=CC=N2

Isomeric SMILES

C/C(=N/NC(=S)N(C1=CC=CC(=C1)C#N)NC(=O)N=S)/C2=CC=CC=N2

InChI

InChI=1S/C16H13N7OS2/c1-11(14-7-2-3-8-18-14)19-20-16(25)23(21-15(24)22-26)13-6-4-5-12(9-13)10-17/h2-9H,1H3,(H,20,25)(H,21,24)/b19-11-