1-[(E)-[2-(4-methyl-1,2,4-triazol-3-yl)quinolin-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2-(4-methyl-1,2,4-triazol-3-yl)quinolin-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[2-(4-methyl-1,2,4-triazol-3-yl)-4-quinolyl]methyleneamino]thiourea CAS Name: [(E)-[2-(4-methyl-1,2,4-triazol-3-yl)-4-quinolinyl]methylideneamino]thiourea IUPAC Name: [(E)-[2-(4-methyl-1,2,4-triazol-3-yl)quinolin-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[2-(4-methyl-1,2,4-triazol-3-yl)-4-quinolyl]methyleneamino]thiourea Formula: C14H13N7S MolecularWeight: 311.36492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=NC3=CC=CC=C3C(=C2)C=NNC(=S)N

Isomeric SMILES

CN1C=NN=C1C2=NC3=CC=CC=C3C(=C2)/C=N/NC(=S)N

InChI

InChI=1S/C14H13N7S/c1-21-8-17-19-13(21)12-6-9(7-16-20-14(15)22)10-4-2-3-5-11(10)18-12/h2-8H,1H3,(H3,15,20,22)/b16-7+