1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(tetrahydrofurfuryl)thiourea Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NCC2CCCO2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NCC2CCCO2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H20ClN5OS/c1-12-15(16(18)23(22-12)13-6-3-2-4-7-13)11-20-21-17(25)19-10-14-8-5-9-24-14/h2-4,6-7,11,14H,5,8-10H2,1H3,(H2,19,21,25)/b20-11+