3-[(1-methylpyrrol-2-yl)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(1-methylpyrrol-2-yl)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(1-methylpyrrol-2-yl)methyl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(1-methyl-2-pyrrolyl)methyl]-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(1-methylpyrrol-2-yl)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(1-methylpyrrol-2-yl)methyl]-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C22H22N4S MolecularWeight: 374.50188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N4S/c1-3-13-26-21(15-19-11-7-14-25(19)2)23-24-22(26)27-16-18-10-6-9-17-8-4-5-12-20(17)18/h3-12,14H,1,13,15-16H2,2H3