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

Systemtic Name: 1-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-benzyl-3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NCC2=CC=CC=C2)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NCC2=CC=CC=C2)C)Cl

InChI

InChI=1S/C16H21ClN4S/c1-12-15(17)13(2)21(20-12)10-6-9-18-16(22)19-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H2,18,19,22)