(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-piperidino-propan-1-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H25N5OS/c1-14(20(27)25-11-5-2-6-12-25)28-21-24-23-19(26(21)15-9-10-15)17-13-22-18-8-4-3-7-16(17)18/h3-4,7-8,13-15,23H,2,5-6,9-12H2,1H3/t14-/m1/s1