1-[5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-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]-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]-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]-2-methyl-1-(4-methylphenyl)-3-indolyl]ethanone IUPAC Name: 1-[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-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]-2-methyl-1-(p-tolyl)indol-3-yl]ethanone Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OCC4=NNC(=S)N4N)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OCC4=NNC(=S)N4N)C(=O)C)C

InChI

InChI=1S/C21H21N5O2S/c1-12-4-6-15(7-5-12)25-13(2)20(14(3)27)17-10-16(8-9-18(17)25)28-11-19-23-24-21(29)26(19)22/h4-10H,11,22H2,1-3H3,(H,24,29)