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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethylbenzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C18H19N3OS/c1-4-9-21-17(16-6-5-10-22-16)19-20-18(21)23-12-15-11-13(2)7-8-14(15)3/h4-8,10-11H,1,9,12H2,2-3H3