3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C20H18ClN3OS2 MolecularWeight: 415.95942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

InChI

InChI=1S/C20H18ClN3OS2/c1-24-19(18-17(21)15-9-8-14(25-2)12-16(15)27-18)22-23-20(24)26-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3