3-[3-[2-[(2-methoxyphenyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(2-methoxyphenyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2-methoxyanilino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(2-methoxyanilino)-6H-1,3,4-thiadiazin-5-yl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(2-methoxyanilino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(o-anisidino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propionitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN=C(CS2)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

COC1=CC=CC=C1NC2=NN=C(CS2)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H19N5OS/c1-27-20-10-5-3-8-17(20)23-21-25-24-18(14-28-21)16-13-26(12-6-11-22)19-9-4-2-7-15(16)19/h2-5,7-10,13H,6,12,14H2,1H3,(H,23,25)