1-cyclohexyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-cyclohexyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C16H21N5S2 MolecularWeight: 347.50144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CC=C(C=C2)NC(=S)NC3CCCCC3

Isomeric SMILES

CN1C(=NNC1=S)C2=CC=C(C=C2)NC(=S)NC3CCCCC3

InChI

InChI=1S/C16H21N5S2/c1-21-14(19-20-16(21)23)11-7-9-13(10-8-11)18-15(22)17-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,20,23)(H2,17,18,22)