1-(4-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea CAS Name: 1-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-[(E)-1-(2-pyridinyl)ethylideneamino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]thiourea Formula: C15H15N7O2S2 MolecularWeight: 389.4553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=CC=N2

InChI

InChI=1S/C15H15N7O2S2/c1-10(13-4-2-3-9-16-13)18-20-15(26)21-19-14(25)17-11-5-7-12(8-6-11)22(23)24/h2-9H,1H3,(H2,17,19,25)(H2,20,21,26)/b18-10+