1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]thiourea Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C19H18ClN5OS/c1-13-16(20)4-2-5-17(13)22-19(27)24-23-18(26)15-8-6-14(7-9-15)12-25-11-3-10-21-25/h2-11H,12H2,1H3,(H,23,26)(H2,22,24,27)