5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-benzyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-benzyl-1,3,4-thiadiazole-2-carboxamide Formula: C17H18N6OS2 MolecularWeight: 386.49442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N6OS2/c1-3-9-23-12(2)19-22-17(23)25-11-14-20-21-16(26-14)15(24)18-10-13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,18,24)