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

Systemtic Name: 3-(3-methyl-1-benzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-methylbenzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-methyl-2-benzofuranyl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-methyl-1-benzofuran-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-methylbenzofuran-2-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-3-12-24-20(19-14(2)17-6-4-5-7-18(17)28-19)22-23-21(24)29-13-15-8-10-16(11-9-15)25(26)27/h3-11H,1,12-13H2,2H3