4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylbut-2-enylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(3-methylbut-2-enylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C

Isomeric SMILES

CC(=CCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N3O2S/c1-15(2)10-11-27-21-23-22-20(17-6-4-3-5-7-17)24(21)13-16-8-9-18-19(12-16)26-14-25-18/h3-10,12H,11,13-14H2,1-2H3