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

Systemtic Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Openeye Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide CAS Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]propanamide IUPAC Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Traditional Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propionamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4CC4

InChI

InChI=1S/C20H23N5O4S/c1-2-8-25-18(13-3-4-13)23-24-20(25)30-11-7-17(26)22-19(27)21-14-5-6-15-16(12-14)29-10-9-28-15/h2,5-6,12-13H,1,3-4,7-11H2,(H2,21,22,26,27)