3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C27H26N6OS MolecularWeight: 482.59994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H26N6OS/c34-26-23-15-6-7-16-24(23)28-31-32(26)18-35-27-30-29-25(33(27)21-12-2-1-3-13-21)17-20-11-8-10-19-9-4-5-14-22(19)20/h4-11,14-16,21H,1-3,12-13,17-18H2