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

Systemtic Name: 5-[(5-cyclopropyl-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-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-benzyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-cyclopropyl-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-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-N-benzyl-1,3,4-thiadiazole-2-carboxamide Formula: C19H20N6OS2 MolecularWeight: 412.5317

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H20N6OS2/c1-2-10-25-16(14-8-9-14)22-24-19(25)27-12-15-21-23-18(28-15)17(26)20-11-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,20,26)