4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H18N4OS2 MolecularWeight: 358.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-12-6-8-13(9-7-12)16-19-20-17(21(16)18)24-11-2-4-14(22)15-5-3-10-23-15/h3,5-10H,2,4,11,18H2,1H3