4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(m-tolyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methylphenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(m-tolyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N3OS/c1-18-7-4-10-20(15-18)24-26-27-25(28(24)16-22-12-6-14-29-22)30-17-21-11-5-9-19-8-2-3-13-23(19)21/h2-15H,16-17H2,1H3