1-butyl-3-[(Z)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea Formula: C16H20ClN5S MolecularWeight: 349.8815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C16H20ClN5S/c1-3-4-10-18-16(23)20-19-11-14-12(2)21-22(15(14)17)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H2,18,20,23)/b19-11-