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

Systemtic Name: (2R)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: (2R)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)S[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N5O3S/c1-11-3-5-13(6-4-11)17-22-23-19(24(17)20)28-12(2)18(25)21-14-7-8-15-16(9-14)27-10-26-15/h3-9,12H,10,20H2,1-2H3,(H,21,25)/t12-/m1/s1