[2-cyano-3-(1,3-dihydro-2-benzofuran-5-ylamino)prop-2-enethioyl]azanium

Systemtic Name: [2-cyano-3-(1,3-dihydro-2-benzofuran-5-ylamino)prop-2-enethioyl]azanium Openeye Name: [2-cyano-3-(1,3-dihydroisobenzofuran-5-ylamino)prop-2-enethioyl]ammonium CAS Name: [2-cyano-3-(1,3-dihydroisobenzofuran-5-ylamino)-1-sulfanylideneprop-2-enyl]ammonium IUPAC Name: [2-cyano-3-(1,3-dihydro-2-benzofuran-5-ylamino)prop-2-enethioyl]azanium Traditional Name: [2-cyano-3-(phthalan-5-ylamino)thioacryloyl]ammonium Formula: C12H12N3OS+ MolecularWeight: 246.30818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CO1)C=C(C=C2)NC=C(C#N)C(=S)[NH3+]

Isomeric SMILES

C1C2=C(CO1)C=C(C=C2)NC=C(C#N)C(=S)[NH3+]

InChI

InChI=1S/C12H11N3OS/c13-4-10(12(14)17)5-15-11-2-1-8-6-16-7-9(8)3-11/h1-3,5,15H,6-7H2,(H2,14,17)/p+1