3-[3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]indol-1-yl]propionitrile Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CS5

InChI

InChI=1S/C22H19N5OS2/c23-10-4-11-26-13-17(16-5-1-2-6-18(16)26)19(28)14-30-22-25-24-21(20-7-3-12-29-20)27(22)15-8-9-15/h1-3,5-7,12-13,15H,4,8-9,11,14H2