[2-[4-(3-cyanopropylsulfanyl)-3-methyl-2H-1,2,3-triazol-1-yl]phenyl]-ethoxy-phosphinic acid

Systemtic Name: [2-[4-(3-cyanopropylsulfanyl)-3-methyl-2H-1,2,3-triazol-1-yl]phenyl]-ethoxy-phosphinic acid Openeye Name: [2-[4-(3-cyanopropylsulfanyl)-3-methyl-2H-triazol-1-yl]phenyl]-ethoxy-phosphinic acid CAS Name: [2-[4-(3-cyanopropylthio)-3-methyl-2H-triazol-1-yl]phenyl]-ethoxyphosphinic acid IUPAC Name: [2-[4-(3-cyanopropylsulfanyl)-3-methyl-2H-triazol-1-yl]phenyl]-ethoxyphosphinic acid Traditional Name: [2-[4-(3-cyanopropylthio)-3-methyl-2H-triazol-1-yl]phenyl]-ethoxy-phosphinic acid Formula: C15H21N4O3PS MolecularWeight: 368.391001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1N2C=C(N(N2)C)SCCCC#N)O

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1N2C=C(N(N2)C)SCCCC#N)O

InChI

InChI=1S/C15H21N4O3PS/c1-3-22-23(20,21)14-9-5-4-8-13(14)19-12-15(18(2)17-19)24-11-7-6-10-16/h4-5,8-9,12,17H,3,6-7,11H2,1-2H3,(H,20,21)