N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C18H18N6OS2/c1-11(16-20-12-5-2-3-6-13(12)21-16)19-15(25)8-9-24-17(22-23-18(24)26)14-7-4-10-27-14/h2-7,10-11H,8-9H2,1H3,(H,19,25)(H,20,21)(H,23,26)/t11-/m0/s1