3-(diphenylmethyl)sulfanyl-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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