2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C17H23N5OS2 MolecularWeight: 377.52742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C17H23N5OS2/c18-22-16(24-11-13-7-3-1-4-8-13)20-21-17(22)25-12-15(23)19-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12,18H2,(H,19,23)