2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H13N5OS/c1-7-11(8-4-2-3-5-9(8)15-7)10(19)6-20-13-16-12(14)17-18-13/h2-5,15H,6H2,1H3,(H3,14,16,17,18)