3-(3-chloranyl-1-benzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorobenzothiophen-2-yl)-5-[2-(4-ethoxyphenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H19ClN4O2S2/c1-2-26-13-7-9-14(10-8-13)27-11-12-28-20-24-23-19(25(20)22)18-17(21)15-5-3-4-6-16(15)29-18/h3-10H,2,11-12,22H2,1H3