3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S/c1-22-12-20-21-19(22)28-17-9-8-14(11-16(17)24(26)27)18(25)23-10-4-6-13-5-2-3-7-15(13)23/h2-3,5,7-9,11-12H,4,6,10H2,1H3