3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H17ClN4O3S/c1-2-24-13-5-3-12(4-6-13)17-21-22-18(23(17)20)27-9-11-7-14(19)16-15(8-11)25-10-26-16/h3-8H,2,9-10,20H2,1H3