2-[[(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propanoyl]amino]thiophene-3-carboxamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H20N6O2S2/c1-11(19(29)24-20-14(17(22)28)8-9-30-20)31-21-26-25-18(27(21)12-6-7-12)15-10-23-16-5-3-2-4-13(15)16/h2-5,8-12,25H,6-7H2,1H3,(H2,22,28)(H,24,29)/t11-/m0/s1