N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methyl-benzamide

Systemtic Name: N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methyl-benzamide Openeye Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-benzamide CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methylbenzamide IUPAC Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methylbenzamide Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-methyl-benzamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H13N5O2S/c1-7-2-4-8(5-3-7)10(19)14-9(18)6-20-12-15-11(13)16-17-12/h2-5H,6H2,1H3,(H,14,18,19)(H3,13,15,16,17)