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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(p-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=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C18H25N5OS/c1-14-7-9-15(10-8-14)17-20-21-18(23(17)19)25-13-16(24)22-11-5-3-2-4-6-12-22/h7-10H,2-6,11-13,19H2,1H3