4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-1H-1,2,4-triazole-5-thione Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=NN3C(=NNC3=S)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=N/N3C(=NNC3=S)CC4=CC=CC=C4

InChI

InChI=1S/C18H16N4O2S/c25-18-21-20-17(11-13-4-2-1-3-5-13)22(18)19-12-14-6-7-15-16(10-14)24-9-8-23-15/h1-7,10,12H,8-9,11H2,(H,21,25)/b19-12+