3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-chloro-6-methoxy-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-chloro-6-methoxy-benzothiophen-2-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O3S2/c1-3-10-25-20(19-18(22)16-9-8-15(29-2)11-17(16)31-19)23-24-21(25)30-12-13-4-6-14(7-5-13)26(27)28/h3-9,11H,1,10,12H2,2H3