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

Systemtic Name: 3-[3-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]indol-1-yl]propionitrile Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6OS/c24-10-4-12-28-14-19(18-6-1-2-7-20(18)28)21(30)15-31-23-27-26-22(29(23)17-8-9-17)16-5-3-11-25-13-16/h1-3,5-7,11,13-14,17H,4,8-9,12,15H2