3-(3-methyl-1-benzofuran-2-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-methyl-1-benzofuran-2-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-methylbenzofuran-2-yl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-methyl-2-benzofuranyl)-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-methyl-1-benzofuran-2-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-methylbenzofuran-2-yl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N3OS/c1-3-15-28-24(23-17(2)20-12-6-7-14-22(20)29-23)26-27-25(28)30-16-19-11-8-10-18-9-4-5-13-21(18)19/h3-14H,1,15-16H2,2H3