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

Systemtic Name: 6-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C29H29N5S MolecularWeight: 479.63906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C29H29N5S/c1-3-11-22(12-4-1)19-34-28(20-33-17-9-2-10-18-33)31-32-29(34)35-21-27-25-15-6-5-13-23(25)24-14-7-8-16-26(24)30-27/h1,3-8,11-16H,2,9-10,17-21H2