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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C24H23N7OS MolecularWeight: 457.55072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=NC6=CC=CC=C6C(=N5)N

Isomeric SMILES

C1CC(OC1)CN2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=NC6=CC=CC=C6C(=N5)N

InChI

InChI=1S/C24H23N7OS/c25-22-17-8-2-4-10-20(17)27-21(28-22)14-33-24-30-29-23(31(24)13-15-6-5-11-32-15)18-12-26-19-9-3-1-7-16(18)19/h1-4,7-10,12,15,29H,5-6,11,13-14H2,(H2,25,27,28)/b23-18-