2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]indolizine-1-carbonitrile Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H18N6O2S/c1-27-15-5-4-6-16(9-15)28-12-19-23-24-20(26(19)22)29-13-14-11-25-8-3-2-7-18(25)17(14)10-21/h2-9,11H,12-13,22H2,1H3