3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylbenzyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2C)C3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2C)C3=CC=CO3)C

InChI

InChI=1S/C16H17N3OS/c1-11-6-7-13(9-12(11)2)10-21-16-18-17-15(19(16)3)14-5-4-8-20-14/h4-9H,10H2,1-3H3