6-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C28H27N5S MolecularWeight: 465.61248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)C6=CN=CC=C6

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)C6=CN=CC=C6

InChI

InChI=1S/C28H27N5S/c1-19-9-2-7-15-26(19)33-27(20-10-8-16-29-17-20)31-32-28(33)34-18-25-23-13-4-3-11-21(23)22-12-5-6-14-24(22)30-25/h3-6,8,10-14,16-17,19,26H,2,7,9,15,18H2,1H3