1-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-cyclohexyl-thiourea

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-cyclohexyl-thiourea Openeye Name: 1-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-cyclohexyl-thiourea CAS Name: 1-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-cyclohexylthiourea IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-cyclohexylthiourea Traditional Name: 1-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-3-cyclohexyl-thiourea Formula: C16H20ClN5S MolecularWeight: 349.8815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H20ClN5S/c17-13-6-4-5-12(9-13)10-22-11-18-15(21-22)20-16(23)19-14-7-2-1-3-8-14/h4-6,9,11,14H,1-3,7-8,10H2,(H2,19,20,21,23)