1-[2-(4-chlorophenyl)sulfanylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(1,3,5-trimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Formula: C15H19ClN4S2 MolecularWeight: 354.92116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN4S2/c1-10-14(11(2)20(3)19-10)18-15(21)17-8-9-22-13-6-4-12(16)5-7-13/h4-7H,8-9H2,1-3H3,(H2,17,18,21)