(2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C21H20N4OS2/c1-12-18(15-6-3-4-7-16(15)22-12)19(26)13(2)28-21-24-23-20(17-8-5-11-27-17)25(21)14-9-10-14/h3-8,11,13-14,22H,9-10H2,1-2H3/t13-/m0/s1