3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-benzyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-benzyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-benzyl-1H-1,2,4-triazol-5-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c23-16(21-11-7-2-1-3-8-12-21)14-25-18-20-19-17(24)22(18)13-15-9-5-4-6-10-15/h4-6,9-10H,1-3,7-8,11-14H2,(H,19,24)