3-chloranyl-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C19H14ClN5O3S2 MolecularWeight: 459.92916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN5O3S2/c1-10-21-19(24-23-10)29-9-11-5-7-12(8-6-11)22-18(26)17-15(20)13-3-2-4-14(25(27)28)16(13)30-17/h2-8H,9H2,1H3,(H,22,26)(H,21,23,24)