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

Systemtic Name: 1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea Formula: C19H18ClN5S MolecularWeight: 383.89772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5S/c1-14-17(18(20)25(24-14)16-10-6-3-7-11-16)13-22-23-19(26)21-12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H2,21,23,26)/b22-13+