3-(2-methylfuran-3-yl)-4-phenyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-4-phenyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-4-phenyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-4-phenyl-5-[[(1R)-1-phenylethyl]thio]-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-4-phenyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(2-methyl-3-furyl)-4-phenyl-5-[[(1R)-1-phenylethyl]thio]-1,2,4-triazole Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)S[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-15-19(13-14-25-15)20-22-23-21(24(20)18-11-7-4-8-12-18)26-16(2)17-9-5-3-6-10-17/h3-14,16H,1-2H3/t16-/m1/s1