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

Systemtic Name: 3-methyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-thiophene-2-carboxamide CAS Name: 3-methyl-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-thiophene-2-carboxamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=C(C=CS3)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=C(C=CS3)C

InChI

InChI=1S/C20H22N4OS2/c1-4-9-24-17(12-21-19(25)18-15(3)8-10-26-18)22-23-20(24)27-13-16-7-5-6-14(2)11-16/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,21,25)