1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-(pyridin-2-ylmethyl)guanidine

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-(pyridin-2-ylmethyl)guanidine Openeye Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-2-(2-pyridylmethyl)guanidine CAS Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-(2-pyridinylmethyl)guanidine IUPAC Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-(pyridin-2-ylmethyl)guanidine Traditional Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-2-(2-pyridylmethyl)guanidine Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC(=NCC3=CC=CC=N3)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC(=NCC3=CC=CC=N3)N

InChI

InChI=1S/C16H15ClN4O2S2/c1-10-13-8-11(17)5-6-14(13)24-15(10)25(22,23)21-16(18)20-9-12-4-2-3-7-19-12/h2-8H,9H2,1H3,(H3,18,20,21)