1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N6S/c1-2-3-11-22-20(27)24-23-14-17-15-26(18-7-5-4-6-8-18)25-19(17)16-9-12-21-13-10-16/h4-10,12-15H,2-3,11H2,1H3,(H2,22,24,27)/b23-14-