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

Systemtic Name: 1-[5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromanyl-1-(4-methoxyphenyl)-2-methyl-indol-3-yl]ethanone Openeye Name: 1-[5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(4-methoxyphenyl)-2-methyl-indol-3-yl]ethanone CAS Name: 1-[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(4-methoxyphenyl)-2-methyl-3-indolyl]ethanone IUPAC Name: 1-[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone Traditional Name: 1-[5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-6-bromo-1-(4-methoxyphenyl)-2-methyl-indol-3-yl]ethanone Formula: C21H20BrN5O3S MolecularWeight: 502.3842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)OC)Br)OCC4=NNC(=S)N4N)C(=O)C

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)OC)Br)OCC4=NNC(=S)N4N)C(=O)C

InChI

InChI=1S/C21H20BrN5O3S/c1-11-20(12(2)28)15-8-18(30-10-19-24-25-21(31)27(19)23)16(22)9-17(15)26(11)13-4-6-14(29-3)7-5-13/h4-9H,10,23H2,1-3H3,(H,25,31)