2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c1-3-8-20-12(2)18-19-17(20)26-11-16(23)21-9-4-5-13-10-14(22(24)25)6-7-15(13)21/h3,6-7,10H,1,4-5,8-9,11H2,2H3