N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C20H24N6O2S MolecularWeight: 412.50856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C20H24N6O2S/c1-3-12(2)22-19(28)23-17(27)11-29-20-25-24-18(26(20)13-8-9-13)15-10-21-16-7-5-4-6-14(15)16/h4-7,10,12-13,24H,3,8-9,11H2,1-2H3,(H2,22,23,27,28)/t12-/m0/s1