2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H18N4O2S/c1-24-19(14-7-8-17-18(11-14)26-10-4-9-25-17)22-23-20(24)27-13-16-6-3-2-5-15(16)12-21/h2-3,5-8,11H,4,9-10,13H2,1H3