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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C26H21N7S MolecularWeight: 463.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=NC6=CC=CC=C6C(=N5)N

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=NC6=CC=CC=C6C(=N5)N

InChI

InChI=1S/C26H21N7S/c1-16-7-6-8-17(13-16)33-25(20-14-28-21-11-4-2-9-18(20)21)31-32-26(33)34-15-23-29-22-12-5-3-10-19(22)24(27)30-23/h2-14,31H,15H2,1H3,(H2,27,29,30)/b25-20-