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

Systemtic Name: N-(tert-butylcarbamoyl)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-3-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CCSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4CC4

InChI

InChI=1S/C21H26N6O2S/c1-21(2,3)24-19(29)23-17(28)10-11-30-20-26-25-18(27(20)13-8-9-13)15-12-22-16-7-5-4-6-14(15)16/h4-7,12-13,25H,8-11H2,1-3H3,(H2,23,24,28,29)/b18-15-