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

Systemtic Name: 2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(azocan-1-yl)ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C18H25N5OS/c1-14-9-5-6-10-15(14)17-20-21-18(23(17)19)25-13-16(24)22-11-7-3-2-4-8-12-22/h5-6,9-10H,2-4,7-8,11-13,19H2,1H3