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

Systemtic Name: 1-butyl-3-[(Z)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[1-phenyl-3-(3-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=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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