3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-cyclopropyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-cyclopropyl-5-methyl-1,2,4-triazole Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C16H18ClN3O2S/c1-10-18-19-16(20(10)12-3-4-12)23-9-11-7-13(17)15-14(8-11)21-5-2-6-22-15/h7-8,12H,2-6,9H2,1H3