N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acenaphthen-1-yl]-4-methyl-benzenesulfonamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NNC(=N5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NNC(=N5)N

InChI

InChI=1S/C21H19N5O2S2/c1-12-8-10-14(11-9-12)30(27,28)26-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)29-21-23-20(22)24-25-21/h2-11,18-19,26H,1H3,(H3,22,23,24,25)