N,N-dimethyl-5-(5-methylfuran-2-yl)-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine

Systemtic Name: N,N-dimethyl-5-(5-methylfuran-2-yl)-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine Openeye Name: N,N-dimethyl-5-(5-methyl-2-furyl)-5-thioxo-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine CAS Name: N,N-dimethyl-5-(5-methyl-2-furanyl)-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphorin-2-amine IUPAC Name: N,N-dimethyl-5-(5-methylfuran-2-yl)-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine Traditional Name: dimethyl-[5-(5-methyl-2-furyl)-5-thioxo-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphorin-2-yl]amine Formula: C21H20N3OPS MolecularWeight: 393.441761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)P2(=S)C3=C(C=C(C=C3)N(C)C)N4CC5=CC=CC=C5C4=N2

Isomeric SMILES

CC1=CC=C(O1)P2(=S)C3=C(C=C(C=C3)N(C)C)N4CC5=CC=CC=C5C4=N2

InChI

InChI=1S/C21H20N3OPS/c1-14-8-11-20(25-14)26(27)19-10-9-16(23(2)3)12-18(19)24-13-15-6-4-5-7-17(15)21(24)22-26/h4-12H,13H2,1-3H3