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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5OS/c1-31-23-14-12-20(13-15-23)24-21(18-30(29-24)22-10-6-3-7-11-22)17-27-28-25(32)26-16-19-8-4-2-5-9-19/h2-15,17-18H,16H2,1H3,(H2,26,28,32)