N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O3S/c1-3-9-26-20(24-25-22(26)30-13-16-6-4-5-15(2)10-16)12-23-21(27)17-7-8-18-19(11-17)29-14-28-18/h3-8,10-11H,1,9,12-14H2,2H3,(H,23,27)