4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)methylthio]-5-methyl-1,2,4-triazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylbenzyl)thio]-5-methyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H21N3O2S/c1-3-15-4-6-16(7-5-15)13-26-20-22-21-14(2)23(20)17-8-9-18-19(12-17)25-11-10-24-18/h4-9,12H,3,10-11,13H2,1-2H3