N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarboximidate

Systemtic Name: N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarboximidate Openeye Name: N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenecarboximidate CAS Name: N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarboximidate IUPAC Name: N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarboximidate Traditional Name: N-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenecarboximidate Formula: C17H13N4O3S- MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NNC(=S)N3N=C(C4=CC=CC=C4)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=NNC(=S)N3N=C(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C17H14N4O3S/c22-16(11-6-2-1-3-7-11)20-21-15(18-19-17(21)25)14-10-23-12-8-4-5-9-13(12)24-14/h1-9,14H,10H2,(H,19,25)(H,20,22)/p-1/t14-/m1/s1