6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=NC6=CC=CC=C6C7=CC=CC=C75

Isomeric SMILES

C1CC(OC1)CN2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=NC6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C29H25N5OS/c1-2-11-22-20(9-1)21-10-4-6-14-26(21)31-27(22)18-36-29-33-32-28(34(29)17-19-8-7-15-35-19)24-16-30-25-13-5-3-12-23(24)25/h1-6,9-14,16,19,32H,7-8,15,17-18H2/b28-24-