2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C19H26N6O2S/c20-25-18(15-6-7-15)21-22-19(25)28-14-17(26)24-10-8-23(9-11-24)12-13-27-16-4-2-1-3-5-16/h1-5,15H,6-14,20H2