N-(cyclohexylideneamino)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(cyclohexylideneamino)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-(cyclohexylideneamino)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(cyclohexylideneamino)-3-(2-phenoxyethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(cyclohexylideneamino)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: (cyclohexylideneamino)-[3-(2-phenoxyethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC2=NC(=NN2)SCCOC3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC(=NNC2=NC(=NN2)SCCOC3=CC=CC=C3)CC1

InChI

InChI=1S/C16H21N5OS/c1-3-7-13(8-4-1)18-19-15-17-16(21-20-15)23-12-11-22-14-9-5-2-6-10-14/h2,5-6,9-10H,1,3-4,7-8,11-12H2,(H2,17,19,20,21)