1-[(E)-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[2-(1H-pyrazol-4-yl)-4-quinolyl]methyleneamino]thiourea CAS Name: [(E)-[2-(1H-pyrazol-4-yl)-4-quinolinyl]methylideneamino]thiourea IUPAC Name: [(E)-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[2-(1H-pyrazol-4-yl)-4-quinolyl]methyleneamino]thiourea Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNN=C3)C=NNC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNN=C3)/C=N/NC(=S)N

InChI

InChI=1S/C14H12N6S/c15-14(21)20-18-6-9-5-13(10-7-16-17-8-10)19-12-4-2-1-3-11(9)12/h1-8H,(H,16,17)(H3,15,20,21)/b18-6+