(3E)-1-hexyl-3-(1-phenylpyridazin-4-ylidene)thiourea

Systemtic Name: (3E)-1-hexyl-3-(1-phenylpyridazin-4-ylidene)thiourea Openeye Name: (3E)-1-hexyl-3-(1-phenylpyridazin-4-ylidene)thiourea CAS Name: (3E)-1-hexyl-3-(1-phenyl-4-pyridazinylidene)thiourea IUPAC Name: (3E)-1-hexyl-3-(1-phenylpyridazin-4-ylidene)thiourea Traditional Name: (3E)-1-hexyl-3-(1-phenylpyridazin-4-ylidene)thiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N=C1C=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCNC(=S)/N=C/1\C=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4S/c1-2-3-4-8-12-18-17(22)20-15-11-13-21(19-14-15)16-9-6-5-7-10-16/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H,18,22)/b20-15+