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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazole Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-16-7-5-10-18(13-16)20-22-23-21(24(20)14-19-11-6-12-25-19)26-15-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3