N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(9,10-dioxo-2-anthryl)propanamide CAS Name: 2-[(1-cyclopentyl-5-tetrazolyl)thio]-N-(9,10-dioxo-2-anthracenyl)propanamide IUPAC Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide Traditional Name: 2-[(1-cyclopentyltetrazol-5-yl)thio]-N-(9,10-diketo-2-anthryl)propionamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NN=NN4C5CCCC5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NN=NN4C5CCCC5

InChI

InChI=1S/C23H21N5O3S/c1-13(32-23-25-26-27-28(23)15-6-2-3-7-15)22(31)24-14-10-11-18-19(12-14)21(30)17-9-5-4-8-16(17)20(18)29/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,24,31)