5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboximidate

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboximidate Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboximidate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)-2-thiophenecarboximidate IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboximidate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboximidate Formula: C15H11N4O3S- MolecularWeight: 327.33784

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=NC4=NC=NN4)[O-]

InChI

InChI=1S/C15H12N4O3S/c20-14(18-15-16-8-17-19-15)13-4-3-12(23-13)9-1-2-10-11(7-9)22-6-5-21-10/h1-4,7-8H,5-6H2,(H2,16,17,18,19,20)/p-1