1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-cyclohexyl-thiourea

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-cyclohexyl-thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-cyclohexyl-thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-cyclohexylthiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-cyclohexylthiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-cyclohexyl-thiourea Formula: C17H21ClN4S MolecularWeight: 348.89344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H21ClN4S/c18-15-12-22(11-13-7-3-1-4-8-13)21-16(15)20-17(23)19-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H2,19,20,21,23)