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

Systemtic Name: 1-[[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methylamino]-3-pyridin-3-yl-thiourea Openeye Name: 1-[(2,3-dihydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea CAS Name: 1-[(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-ylthiourea Traditional Name: 1-[(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,15,19-20H,(H2,16,17,21)