[4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C23H31N5OS/c1-17-10-14-27(15-11-17)22-24-25-23(28(22)20-8-9-20)30-16-18-4-6-19(7-5-18)21(29)26-12-2-3-13-26/h4-7,17,20H,2-3,8-16H2,1H3