N-(2-cyano-3-methyl-butan-2-yl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4CC4

InChI

InChI=1S/C22H26N6OS/c1-13(2)22(4,12-23)25-20(29)14(3)30-21-27-26-19(28(21)15-9-10-15)17-11-24-18-8-6-5-7-16(17)18/h5-8,11,13-15,26H,9-10H2,1-4H3,(H,25,29)/b19-17-