1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]thiourea Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CC=C2)C

InChI

InChI=1S/C14H16ClN5OS/c1-9-11(15)12(20(2)19-9)13(21)17-18-14(22)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)