N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C20H15BrN4OS MolecularWeight: 439.3283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4OS/c21-14-8-10-15(11-9-14)25-18(23-24-20(25)27)12-22-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,22,26)(H,24,27)