4-[[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N5OS/c1-4-26-20(14-17-8-6-5-7-9-17)24-27(22(26)29)16-25(3)15-18-10-12-19(13-11-18)21(28)23-2/h5-13H,4,14-16H2,1-3H3,(H,23,28)