1-[2-(4-chloranylpyrazol-1-yl)ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(4-chloranylpyrazol-1-yl)ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea CAS Name: 1-[2-(4-chloro-1-pyrazolyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Traditional Name: 1-benzyl-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Formula: C13H15ClN4S MolecularWeight: 294.803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCCN2C=C(C=N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C13H15ClN4S/c14-12-9-17-18(10-12)7-6-15-13(19)16-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,15,16,19)