(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)N

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)N

InChI

InChI=1S/C13H13N5OS/c1-7(20-13-16-12(14)17-18-13)11(19)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3,(H3,14,16,17,18)/t7-/m1/s1