4-oxidanylidene-4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-oxidanylidene-4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-oxo-4-(2-thienyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-oxo-4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-oxo-4-thiophen-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-keto-4-(2-thienyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c23-16(17-2-1-9-25-17)7-8-18(24)20-10-14-3-5-15(6-4-14)11-22-13-19-12-21-22/h1-6,9,12-13H,7-8,10-11H2,(H,20,24)