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

Systemtic Name: 1-butyl-3-[(Z)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-4-14-23-22(29)25-24-15-18-16-27(19-8-6-5-7-9-19)26-21(18)17-10-12-20(28-2)13-11-17/h5-13,15-16H,3-4,14H2,1-2H3,(H2,23,25,29)/b24-15-