N-[3-oxidanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide CAS Name: N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-keto-3-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]propyl]thiophene-2-carboxamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CSC(=C1)C(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H19N5O2S/c24-17(7-8-20-18(25)16-2-1-9-26-16)21-10-14-3-5-15(6-4-14)11-23-13-19-12-22-23/h1-6,9,12-13H,7-8,10-11H2,(H,20,25)(H,21,24)