3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)CCC(=O)N

InChI

InChI=1S/C17H19N5O4S/c18-14(23)5-6-15-20-21-17(22(15)11-2-3-11)27-8-16(24)19-10-1-4-12-13(7-10)26-9-25-12/h1,4,7,11H,2-3,5-6,8-9H2,(H2,18,23)(H,19,24)