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

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-5-cinnamylsulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-5-(cinnamylthio)-4-methyl-1,2,4-triazole Formula: C20H16ClN3S2 MolecularWeight: 397.94414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3S2/c1-24-19(18-17(21)15-11-5-6-12-16(15)26-18)22-23-20(24)25-13-7-10-14-8-3-2-4-9-14/h2-12H,13H2,1H3