4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H12N4S2 MolecularWeight: 276.38048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC2=NC(=NN2)SCCCC#N

Isomeric SMILES

C1=CSC(=C1)/C=C/C2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C12H12N4S2/c13-7-1-2-8-18-12-14-11(15-16-12)6-5-10-4-3-9-17-10/h3-6,9H,1-2,8H2,(H,14,15,16)/b6-5+