3-(3-chloranyl-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H15ClN4O2S2 MolecularWeight: 442.9417

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN4O2S2/c1-2-11-24-19(18-17(21)15-5-3-4-6-16(15)29-18)22-23-20(24)28-12-13-7-9-14(10-8-13)25(26)27/h2-10H,1,11-12H2