N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC=NN4

InChI

InChI=1S/C18H12N4O3S/c23-14(8-26-18-19-9-20-22-18)21-13-7-3-6-12-15(13)17(25)11-5-2-1-4-10(11)16(12)24/h1-7,9H,8H2,(H,21,23)(H,19,20,22)