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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-yl-thiourea Openeye Name: 1-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea CAS Name: 1-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-pyridin-3-ylthiourea Traditional Name: 1-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-pyridyl)thiourea Formula: C14H13BrN4O2S MolecularWeight: 381.24762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CN=CC=C2)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CN=CC=C2)C=C(C1=O)Br

InChI

InChI=1S/C14H13BrN4O2S/c1-21-12-6-9(5-11(15)13(12)20)7-17-19-14(22)18-10-3-2-4-16-8-10/h2-8,17H,1H3,(H2,18,19,22)