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

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C19H16ClN3S2 MolecularWeight: 385.93344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H16ClN3S2/c1-23-18(17-16(20)14-9-5-6-10-15(14)25-17)21-22-19(23)24-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3