5-(phenoxymethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(phenoxymethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-(phenoxymethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 5-(phenoxymethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)COC5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)COC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-2-16-27-23(17-29-18-10-4-3-5-11-18)26-28(25(27)31)24-19-12-6-8-14-21(19)30-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2