5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C22H20N6OS2 MolecularWeight: 448.5638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NN=C(S4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NN=C(S4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C22H20N6OS2/c29-20(23-13-15-7-3-1-4-8-15)21-26-25-18(31-21)14-30-22-24-19(16-11-12-16)28(27-22)17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,23,29)