2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H29N5O2S/c1-12-17(14(3)27)13(2)22-18(12)19(28)15(4)29-21-24-23-20(26(21)16-8-9-16)25-10-6-5-7-11-25/h15-16,22H,5-11H2,1-4H3