2-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-3-cyclopropyl-5-thioxo-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[1-[[(4-bromobenzyl)-methyl-amino]methyl]-3-cyclopropyl-5-thioxo-1,2,4-triazol-4-yl]acetamide Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3CC3)CC(=O)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3CC3)CC(=O)N

InChI

InChI=1S/C16H20BrN5OS/c1-20(8-11-2-6-13(17)7-3-11)10-22-16(24)21(9-14(18)23)15(19-22)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,18,23)