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

Systemtic Name: 4-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-furan-2-carbonitrile Openeye Name: 4-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-furan-2-carbonitrile CAS Name: 4-[[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-propyl-2-furancarbonitrile IUPAC Name: 4-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propylfuran-2-carbonitrile Traditional Name: 4-[[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-propyl-2-furonitrile Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N5OS/c1-2-9-21-17(14-20(15-24)29-21)16-30-23-27-26-22(25-18-10-5-3-6-11-18)28(23)19-12-7-4-8-13-19/h3-8,10-14H,2,9,16H2,1H3,(H,25,26)