3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-chlorobenzothiophen-2-yl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C19H17ClN4O2S2 MolecularWeight: 432.94688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H17ClN4O2S2/c1-25-12-5-4-6-13(9-12)26-10-17-22-23-19(24(17)21)27-11-16-18(20)14-7-2-3-8-15(14)28-16/h2-9H,10-11,21H2,1H3