(2E)-4-methyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-4-(1,2,4-triazol-1-yl)pentanenitrile

Systemtic Name: (2E)-4-methyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-4-(1,2,4-triazol-1-yl)pentanenitrile Openeye Name: (2E)-4-methyl-3-oxo-2-(2-thienylmethylene)-4-(1,2,4-triazol-1-yl)pentanenitrile CAS Name: (2E)-4-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-4-(1,2,4-triazol-1-yl)pentanenitrile IUPAC Name: (2E)-4-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-4-(1,2,4-triazol-1-yl)pentanenitrile Traditional Name: (E)-2-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]-3-(2-thienyl)acrylonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=CC1=CC=CS1)C#N)N2C=NC=N2

Isomeric SMILES

CC(C)(C(=O)/C(=C/C1=CC=CS1)/C#N)N2C=NC=N2

InChI

InChI=1S/C13H12N4OS/c1-13(2,17-9-15-8-16-17)12(18)10(7-14)6-11-4-3-5-19-11/h3-6,8-9H,1-2H3/b10-6+