3-[3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(3-amino-3-oxo-propyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-amino-3-oxopropyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(3-amino-3-oxopropyl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-amino-3-keto-propyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C12H15N5O2S2 MolecularWeight: 325.4098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CCC(=O)N)SCCC(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CCC(=O)N)SCCC(=O)N

InChI

InChI=1S/C12H15N5O2S2/c13-9(18)3-5-17-11(8-2-1-6-20-8)15-16-12(17)21-7-4-10(14)19/h1-2,6H,3-5,7H2,(H2,13,18)(H2,14,19)