1-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-yl-thiourea Openeye Name: 1-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea CAS Name: 1-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-ylthiourea Traditional Name: 1-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NNC=C2C=CC(=O)C=C2O

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NNC=C2C=CC(=O)C=C2O

InChI

InChI=1S/C13H12N4O2S/c18-11-4-3-9(12(19)6-11)7-15-17-13(20)16-10-2-1-5-14-8-10/h1-8,15,19H,(H2,16,17,20)