5-phenethyl-4-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 5-phenethyl-4-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-phenethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-phenethyl-4-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-phenethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-phenethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C30H25N3OS MolecularWeight: 475.604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C30H25N3OS/c35-30-32(21-23-13-5-2-6-14-23)28(20-19-22-11-3-1-4-12-22)31-33(30)29-24-15-7-9-17-26(24)34-27-18-10-8-16-25(27)29/h1-18,29H,19-21H2