(2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-propionamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C16H19N5O3S/c1-9(25-16-20-19-14(21(16)17)11-3-4-11)15(22)18-7-10-2-5-12-13(6-10)24-8-23-12/h2,5-6,9,11H,3-4,7-8,17H2,1H3,(H,18,22)/t9-/m1/s1