4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-furan-2-carbonitrile

Systemtic Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-furan-2-carbonitrile Openeye Name: 4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile CAS Name: 4-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-5-propyl-2-furancarbonitrile IUPAC Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propylfuran-2-carbonitrile Traditional Name: 4-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-5-propyl-2-furonitrile Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H18N4OS2/c1-2-7-18-15(12-17(13-22)26-18)14-28-21-24-23-20(19-10-6-11-27-19)25(21)16-8-4-3-5-9-16/h3-6,8-12H,2,7,14H2,1H3