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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NNC(=C4C=NC5=CC=CC=C54)N3CC6CCCO6

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3CC6CCCO6

InChI

InChI=1S/C25H24N6OS/c1-16-23(28-22-11-5-4-10-21(22)27-16)15-33-25-30-29-24(31(25)14-17-7-6-12-32-17)19-13-26-20-9-3-2-8-18(19)20/h2-5,8-11,13,17,29H,6-7,12,14-15H2,1H3/b24-19-