3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C19H19ClN4O3S/c1-25-14-5-3-13(4-6-14)18-22-23-19(24(18)21)28-11-12-9-15(20)17-16(10-12)26-7-2-8-27-17/h3-6,9-10H,2,7-8,11,21H2,1H3