N-dodecyl-1,4-bis(oxidanylidene)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide

Systemtic Name: N-dodecyl-1,4-bis(oxidanylidene)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide Openeye Name: N-dodecyl-1,4-dioxo-3-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxamide CAS Name: N-dodecyl-1,4-dioxo-3-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxamide IUPAC Name: N-dodecyl-1,4-dioxo-3-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide Traditional Name: 1,4-diketo-N-lauryl-3-[(1-phenyltetrazol-5-yl)thio]-2-naphthamide Formula: C30H35N5O3S MolecularWeight: 545.6956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C30H35N5O3S/c1-2-3-4-5-6-7-8-9-10-16-21-31-29(38)25-26(36)23-19-14-15-20-24(23)27(37)28(25)39-30-32-33-34-35(30)22-17-12-11-13-18-22/h11-15,17-20H,2-10,16,21H2,1H3,(H,31,38)