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

Systemtic Name: N-(phenylmethyl)-5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(phenylmethyl)-5-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H18N6OS2/c1-2-6-12-18-16(22-19-12)24-10-13-20-21-15(25-13)14(23)17-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,17,23)(H,18,19,22)