6-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C28H26N4O2S/c1-33-20-14-12-19(13-15-20)27-30-31-28(32(27)17-21-7-6-16-34-21)35-18-26-24-10-3-2-8-22(24)23-9-4-5-11-25(23)29-26/h2-5,8-15,21H,6-7,16-18H2,1H3