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

Systemtic Name: 5-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C20H18N6OS3 MolecularWeight: 454.59152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C20H18N6OS3/c27-18(21-11-13-5-2-1-3-6-13)19-24-22-16(30-19)12-29-20-25-23-17(15-7-4-10-28-15)26(20)14-8-9-14/h1-7,10,14H,8-9,11-12H2,(H,21,27)