N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[5-(3-methyl-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)NC4=NN=C(S4)C5CC5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC=C)SCC(=O)NC4=NN=C(S4)C5CC5

InChI

InChI=1S/C21H20N6O2S2/c1-3-10-27-18(17-12(2)14-6-4-5-7-15(14)29-17)23-26-21(27)30-11-16(28)22-20-25-24-19(31-20)13-8-9-13/h3-7,13H,1,8-11H2,2H3,(H,22,25,28)