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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(4-chloranylpyrazol-1-yl)ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C16H21ClN4S/c1-2-3-4-13-5-7-15(8-6-13)20-16(22)18-9-10-21-12-14(17)11-19-21/h5-8,11-12H,2-4,9-10H2,1H3,(H2,18,20,22)