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

Systemtic Name: 4-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C16H15ClN4OS2 MolecularWeight: 378.8995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4OS2/c17-12-5-1-4-11(10-12)15-19-20-16(21(15)18)24-9-2-6-13(22)14-7-3-8-23-14/h1,3-5,7-8,10H,2,6,9,18H2