2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-1-(azocan-1-yl)ethanone Formula: C18H25N5OS2 MolecularWeight: 391.554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS2/c19-23-17(25-13-15-9-5-4-6-10-15)20-21-18(23)26-14-16(24)22-11-7-2-1-3-8-12-22/h4-6,9-10H,1-3,7-8,11-14,19H2