1-(2-methoxyethyl)-3-[(Z)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-(2-methoxyethyl)-3-[(Z)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[(Z)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-(2-methoxyethyl)-3-[(Z)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-(2-methoxyethyl)-3-[(Z)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)NCCOC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=S)NCCOC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-16-8-10-17(11-9-16)20-18(14-23-24-21(28)22-12-13-27-2)15-26(25-20)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24,28)/b23-14-