3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-methyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C18H15N5O3S2 MolecularWeight: 413.4734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H15N5O3S2/c1-21-16(10-22-14-7-2-3-8-15(14)28-18(22)24)19-20-17(21)27-11-12-5-4-6-13(9-12)23(25)26/h2-9H,10-11H2,1H3