1-[5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

Systemtic Name: 1-[5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone Openeye Name: 1-[5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-2-methyl-1-(p-tolyl)indol-3-yl]ethanone CAS Name: 1-[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-2-methyl-1-(4-methylphenyl)-3-indolyl]ethanone IUPAC Name: 1-[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone Traditional Name: 1-[5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-2-methyl-1-(p-tolyl)indol-3-yl]ethanone Formula: C21H20BrN5O2S MolecularWeight: 486.3848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C32)Br)OCC4=NNC(=S)N4N)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C32)Br)OCC4=NNC(=S)N4N)C(=O)C)C

InChI

InChI=1S/C21H20BrN5O2S/c1-11-4-6-14(7-5-11)26-12(2)20(13(3)28)15-8-18(16(22)9-17(15)26)29-10-19-24-25-21(30)27(19)23/h4-9H,10,23H2,1-3H3,(H,25,30)