1-[(E)-(3-methyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-(3-methyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-(3-methyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(3-methyl-5-phenoxy-1-phenyl-4-pyrazolyl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-(3-methyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NCC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NCC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5OS/c1-19-23(18-27-28-25(32)26-17-20-11-5-2-6-12-20)24(31-22-15-9-4-10-16-22)30(29-19)21-13-7-3-8-14-21/h2-16,18H,17H2,1H3,(H2,26,28,32)/b27-18+