2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H24N6O4S/c27-17(22-18(28)21-13-3-6-15-16(11-13)30-10-9-29-15)12-31-20-24-23-19(25-7-1-2-8-25)26(20)14-4-5-14/h3,6,11,14H,1-2,4-5,7-10,12H2,(H2,21,22,27,28)